N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

C13H21N5 — CID 112549489

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCc1nn(C)cc1CNCCc1nccn1C
InChIInChI=1S/C13H21N5/c1-4-12-11(10-18(3)16-12)9-14-6-5-13-15-7-8-17(13)2/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyXDGZTYNLUJAPAU-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.05
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 112549489) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID112549489
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCc1nn(C)cc1CNCCc1nccn1C
InChIInChI=1S/C13H21N5/c1-4-12-11(10-18(3)16-12)9-14-6-5-13-15-7-8-17(13)2/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyXDGZTYNLUJAPAU-UHFFFAOYSA-N
XLogP1.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
2-(1-methylimidazol-2-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 114527694
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 112549165
N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 112671374
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112549267
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 112549443
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112549169

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 112549489) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is CCc1nn(C)cc1CNCCc1nccn1C.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is XDGZTYNLUJAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-12-11(10-18(3)16-12)9-14-6-5-13-15-7-8-17(13)2/h7-8,10,14H,4-6,9H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 112549489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).